5-bromanyl-8-nitro-isoquinolin-2-ium-6,7-diol

Systemtic Name: 5-bromanyl-8-nitro-isoquinolin-2-ium-6,7-diol Openeye Name: 5-bromo-8-nitro-isoquinolin-2-ium-6,7-diol CAS Name: 5-bromo-8-nitroisoquinolin-2-ium-6,7-diol IUPAC Name: 5-bromo-8-nitroisoquinolin-2-ium-6,7-diol Traditional Name: 5-bromo-8-nitro-isoquinolin-2-ium-6,7-diol Formula: C9H6BrN2O4+ MolecularWeight: 286.05894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC2=C1C(=C(C(=C2[N+](=O)[O-])O)O)Br

Isomeric SMILES

C1=C[NH+]=CC2=C1C(=C(C(=C2[N+](=O)[O-])O)O)Br

InChI

InChI=1S/C9H5BrN2O4/c10-6-4-1-2-11-3-5(4)7(12(15)16)9(14)8(6)13/h1-3,13-14H/p+1